ChemicalBook > CAS DataBase List > 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

Product Name
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
CAS No.
641571-11-1
Chemical Name
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Synonyms
NILOTINIB IMPURITY 24;Nilotinib EP Impurity A;Nilotinib Intemediate 1;Nilotinib Amino Impurity;Nilotinib??Intermediates?A;Nilotinib genotoxic impurity 1;Nilotinib Hydrochloride Monohydrate Impurity A;Nilotinib Impurity 15(Nilotinib EP Impurity A);3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl);Nilotinib Hydrochloride Monohydrate EP Impurity A
CBNumber
CB91503963
Molecular Formula
C11H10F3N3
Formula Weight
241.21
MOL File
641571-11-1.mol
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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Property

Melting point:
124-126°C
Boiling point:
372.14℃[at 101 325 Pa]
Density 
1.35
vapor pressure 
0Pa at 25℃
storage temp. 
Keep in dark place,Inert atmosphere,Room temperature
solubility 
DMSO (Slightly), Methanol (Slightly)
form 
powder to crystal
color 
White to Light gray to Light yellow
Water Solubility 
228.6mg/L at 25℃
InChI
InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
InChIKey
WWTGXYAJVXKEKL-UHFFFAOYSA-N
SMILES
C1(N2C=C(C)N=C2)C=C(N)C=C(C(F)(F)F)C=1
LogP
2.42
CAS DataBase Reference
641571-11-1(CAS DataBase Reference)
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Safety

Risk Statements 
41
Safety Statements 
26-39
RIDADR 
2811
HazardClass 
6.1
PackingGroup 
HS Code 
2933299090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H301Toxic if swalloed

H318Causes serious eye damage

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
VBP00135
Product name
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Packaging
1g
Price
$482
Updated
2024/03/01
TCI Chemical
Product number
M2634
Product name
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Purity
>98.0%(GC)(T)
Packaging
1g
Price
$33
Updated
2024/03/01
TCI Chemical
Product number
M2634
Product name
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$109
Updated
2024/03/01
TRC
Product number
M313065
Product name
3-(4-Methyl-1H-imidazol-1-yl)-5-trifluoromethylaniline
Packaging
25mg
Price
$145
Updated
2021/12/16
SynQuest Laboratories
Product number
3H30-3-T2
Product name
3-Amino-5-(4-methyl-1H-imidazol-1-yl)benzotrifluoride
Packaging
250mg
Price
$150
Updated
2021/12/16
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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Chemical Properties,Usage,Production

Description

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline is a pharmaceutical intermediate component used in the preparation of Nilotinib for the treatment of a variety of leukaemias, including chronic myeloid leukaemia (CML).

Chemical Properties

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline is a white to light grey to light yellow powder to crystals with a melting point of 130 °C.

Uses

Intermediate in the preparation of Nilotinib.

Application

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline is an arylimidazole derivative. This compound includes multiple functional groups: aniline, methyl, and imidazole. Hence, the compound is readily available for further functionalization. This building block can typically synthesize homoleptic imidazole-type iridium (Ir) triplet emitters as a blue phosphorescent emitter in OLED. The iridium organometallic complex is formed by coordinating the imidazole and the aryl group to the iridium metal center. The trifluoromethyl group, with a strong electron-withdrawing effect, increases the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital (HOMO-LUMO), hence enabling a blue shift in the photoluminescent emission[1].

References

[1] Qiang Wei. “Small-Molecule Emitters with High Quantum Efficiency: Mechanisms, Structures, and Applications in OLED Devices.” Advanced Optical Materials 6 20 (2018).

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Preparation Products And Raw materials

Raw materials

Preparation Products

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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline Suppliers

TCI AMERICA
Tel
800-4238616
Fax
+1-888-520-1075 / +1-503-283-1987
Email
sales@tciamerica.com
Country
Americas
ProdList
23662
Advantage
75
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View Lastest Price from 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline manufacturers

Henan Fengda Chemical Co., Ltd
Product
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 641571-11-1
Price
US $35.00-1.20/kg
Min. Order
1kg
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2024-03-28
Nanjing Fred Technology Co., Ltd
Product
3-(4-Methyl-1H-Imidazol-1-yl)-5-(Trifluoromethyl)Aniline 641571-11-1
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1 ton
Release date
2023-12-20
LY Global chemicals co.,ltd .
Product
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 641571-11-1
Price
US $0.00/kg
Min. Order
1kg
Purity
98.0%min
Supply Ability
100kg
Release date
2023-03-11

641571-11-1, 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)anilineRelated Search:


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